[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 6.65678407996893 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.656784079968931e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 35.87571228448007 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724866591 "si-unit" "kg / m s^2" "si-value" 35875712284.48007 } "c12" { "source-value" 31.85234474135248 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361863277 "si-unit" "kg / m s^2" "si-value" 31852344741.35248 } "c44" { "source-value" -4.094661035459538 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812087082 "si-unit" "kg / m s^2" "si-value" -4094661035.459538 } "excess" { "source-value" 3.4614533461770754e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3461.453346177075 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 6.65678407996893 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.656784079968931e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 33.19346725572834 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157875565 "si-unit" "kg / m s^2" "si-value" 33193467255.72834 } } ]